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Compound Detail

CHEMBL1740541

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C[N+]1(CC(=O)OCCCc2ccccc2)CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1740541
Phase Preclinical
Structure Type MOL
InChI Key YXDXKMMGUBITHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
1.64
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24NO3+
MW 278.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine